N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

C20H16N4O2S — CID 50962027

IUPACN-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(c1cnc(-c2cccnc2)nc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H16N4O2S/c25-20(16-11-22-19(23-12-16)15-4-1-7-21-10-15)24(13-17-5-2-8-26-17)14-18-6-3-9-27-18/h1-12H,13-14H2
InChIKeyYYQXSPLASFMKME-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.04
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 50962027) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID50962027
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(c1cnc(-c2cccnc2)nc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H16N4O2S/c25-20(16-11-22-19(23-12-16)15-4-1-7-21-10-15)24(13-17-5-2-8-26-17)14-18-6-3-9-27-18/h1-12H,13-14H2
InChIKeyYYQXSPLASFMKME-UHFFFAOYSA-N
XLogP4.04
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-Furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone
CID 2981331
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2493360
N-(2-furylmethyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2979683
N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 3000000
N-(furan-2-ylmethyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310234
4-(6-Ethylthiopheno[3,2-e]pyrimidin-4-yl)piperazinyl 2-furyl ketone
CID 830963
1-[[4-Amino-2-(furan-2-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]piperidin-4-one
CID 45279728
Orexin receptor antagonist 31
CID 71526567
Orexin receptor antagonist 32
CID 71526568
Furan-2-carboxylic acid {4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
CID 89596378
US9546152, example 75
CID 74221809
US9546152, example 77
CID 74221811

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (CID 50962027) is N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is O=C(c1cnc(-c2cccnc2)nc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is YYQXSPLASFMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-20(16-11-22-19(23-12-16)15-4-1-7-21-10-15)24(13-17-5-2-8-26-17)14-18-6-3-9-27-18/h1-12H,13-14H2.
What are the key properties of N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 50962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).